SCHEMBL19630694

SCHEMBL19630694

COc1ccc2oc3c(c2c1)CCN1C(C)C2CCC1C3C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HRH4 Q9H3N8 3/20 0.34
▸ CDC7 O00311 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19630854 0.78 SLC6A4 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL31622897 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL31291663 0.75 SLC6A4 (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL31622905 0.71 KDM4E (0.37) KDM4EALDH1A1TSHRNPSR1HPGD
SCHEMBL19630751 0.71 SIGMAR1 (0.34) KDM4EALDH1A1TSHRNPSR1HPGD
SCHEMBL26837612 0.69 HRH4 (0.41) KDM4EALDH1A1TSHRHPGDNPC1
SCHEMBL26326424 0.68 SLC6A4 (0.34) —
SCHEMBL26324763 0.67 SLC6A4 (0.41) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL17793578 0.67 MAPT (0.41) KDM4EALDH1A1TSHRHPGDNPC1
SCHEMBL17793573 0.67 SLC6A4 (0.46) KDM4EALDH1A1TSHRHPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 — — US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 — — US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KDM4E 1197/4885ALDH1A1 2434/4885TSHR 312/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KDM4E 1372/4885ALDH1A1 2316/4885TSHR 266/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 KDM4E 1197/4885ALDH1A1 2434/4885TSHR 312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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